Mol:FL2FAANI0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 37 0 0 0 0 0 0 0 0999 V2000 -1.1318 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 -0.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -2.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 0.4736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1316 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7833 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3503 -1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 2 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 S SKP 8 ID FL2FAANI0009 KNApSAcK_ID C00008269 NAME Amorilin CAS_RN 83474-69-5 FORMULA C30H36O5 EXACTMASS 476.256274262 AVERAGEMASS 476.60384000000005 SMILES C(Cc(c1O)c(c(c(O2)c1C(=O)CC2c(c3)cc(CC=C(C)C)c(c3)O)CC=C(C)C)O)=C(C)C M END